- InChI
- InChI=1S/C12H18/c1-3-11(4-2)10-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3
- InChI Key
- XLXKNHSGAGUAKZ-UHFFFAOYSA-N
- Formula
- C12H18
- SMILES
- CCC(CC)Cc1ccccc1
- Molecular Weight1
- 162.28
- Other Names
-
- (2-Ethylbutyl)benzene
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4098 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -6778.00 | kJ/mol | NIST |
| ΔfG° | 160.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -50.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.665 | Crippen Calculated Property | |
| McVol | 156.180 | ml/mol | McGowan Calculated Property |
| Pc | 2424.27 | kPa | Joback Calculated Property |
| Tboil | [489.81; 489.81] | K |
|
| Tboil | 489.81 ± 0.30 | K | NIST |
| Tboil | 489.81 ± 0.30 | K | NIST |
| Tc | 688.77 | K | Relay (1.0) Calculated Property |
| Tfus | 200.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.561 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [202.48; 520.43] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.36070e+01 | |||
| Coefficient B | 1.07084e+00 | |||
| Coefficient C | -6.63400e-04 | |||
| Coefficient D | 1.56600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 202.48 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 259.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 309.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 353.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 392.17 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 425.84 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 455.01 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 480.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 501.81 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 520.43 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0057131; 0.0002051] | Pa×s | [236.42; 492.94] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.15587e+01 | |||
| Coefficient B | 1.51160e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 236.42 | |||
| Temperature range, max. | 492.94 | |||
| η | 0.0057131 | Pa×s | 236.42 | Calculated Property |
| η | 0.0028716 | Pa×s | 264.92 | Calculated Property |
| η | 0.0016498 | Pa×s | 293.42 | Calculated Property |
| η | 0.0010455 | Pa×s | 321.93 | Calculated Property |
| η | 0.0007136 | Pa×s | 350.43 | Calculated Property |
| η | 0.0005159 | Pa×s | 378.93 | Calculated Property |
| η | 0.0003903 | Pa×s | 407.43 | Calculated Property |
| η | 0.0003062 | Pa×s | 435.93 | Calculated Property |
| η | 0.0002475 | Pa×s | 464.44 | Calculated Property |
| η | 0.0002051 | Pa×s | 492.94 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (2-ethylbutyl)-.
Sources
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